2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline

C49H30N2O — CID 146335944

IUPAC2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2[C@@H]3c2cccc3c2oc2cc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)ccc23)cc1
InChIInChI=1S/C49H30N2O/c1-3-10-30(11-4-1)34-20-25-39-42(28-34)36-14-7-8-15-38(36)46(39)41-17-9-16-40-37-24-21-35(29-45(37)52-49(40)41)44-27-23-33-19-18-32-22-26-43(31-12-5-2-6-13-31)50-47(32)48(33)51-44/h1-29,46H/t46-/m0/s1
InChIKeyXFONQACFYZXOAB-DXQCBLCSSA-N
MW662.79 g/mol
LogP12.84
Rot. Bonds4

About 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline

2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline (PubChem CID 146335944) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
PubChem CID146335944
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2[C@@H]3c2cccc3c2oc2cc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)ccc23)cc1
InChIInChI=1S/C49H30N2O/c1-3-10-30(11-4-1)34-20-25-39-42(28-34)36-14-7-8-15-38(36)46(39)41-17-9-16-40-37-24-21-35(29-45(37)52-49(40)41)44-27-23-33-19-18-32-22-26-43(31-12-5-2-6-13-31)50-47(32)48(33)51-44/h1-29,46H/t46-/m0/s1
InChIKeyXFONQACFYZXOAB-DXQCBLCSSA-N
XLogP12.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
CID 146335613
4-[3-[3-(2-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzofuran
CID 90215135
2-[3-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,10-phenanthroline
CID 164834871
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
CID 176785300
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline (CID 146335944) is 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline is c1ccc(-c2ccc3c(c2)-c2ccccc2[C@@H]3c2cccc3c2oc2cc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)ccc23)cc1.
What is the InChIKey of 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline?
The InChIKey is XFONQACFYZXOAB-DXQCBLCSSA-N. The full InChI is InChI=1S/C49H30N2O/c1-3-10-30(11-4-1)34-20-25-39-42(28-34)36-14-7-8-15-38(36)46(39)41-17-9-16-40-37-24-21-35(29-45(37)52-49(40)41)44-27-23-33-19-18-32-22-26-43(31-12-5-2-6-13-31)50-47(32)48(33)51-44/h1-29,46H/t46-/m0/s1.
What are the key properties of 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline?
2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline has a molecular weight of 662.79 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline is sourced from PubChem (CID 146335944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).